1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol

C15H14F3NO2 — CID 60909290

IUPAC1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
SMILESCOc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C15H14F3NO2/c1-21-15-5-3-10(7-13(15)18)19-8-14(20)9-2-4-11(16)12(17)6-9/h2-7,14,19-20H,8H2,1H3
InChIKeyOLONKLNMRHUGLD-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.26
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol

1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol (PubChem CID 60909290) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
PubChem CID60909290
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
SMILESCOc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C15H14F3NO2/c1-21-15-5-3-10(7-13(15)18)19-8-14(20)9-2-4-11(16)12(17)6-9/h2-7,14,19-20H,8H2,1H3
InChIKeyOLONKLNMRHUGLD-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
CID 60897262
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol (CID 60909290) is 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol is COc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol?
The InChIKey is OLONKLNMRHUGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-21-15-5-3-10(7-13(15)18)19-8-14(20)9-2-4-11(16)12(17)6-9/h2-7,14,19-20H,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol?
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol has a molecular weight of 297.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol is sourced from PubChem (CID 60909290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).